Molecule

ID:40880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Br₂NO
Molecular Mass
316.97668
Exact Mass
314.88943785
Charge
0
InChI
InChI=1S/C10H7Br2NO/c1-5-9(14)3-6-2-7(11)4-8(12)10(6)13-5/h2-4,14H,1H3
InChIKey
CFQPLIFZQANEHN-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2cc(O)c(nc2c(c1)Br)C
Isomeric Smiles
n1c2c(cc(c1C)O)cc(cc2Br)Br
Calculated Properties
JChem
Acid pKa
9.837653
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4948068
LogD (pH = 7.4)
3.4946373
Log P
3.4962106
Molar Refractivity
61.7973
Polarizability
24.974167
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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